scholarly journals Analysis of Hydrogen Diffusion Process and Elementary Process in Nickel Crystal by Molecular Dynamics Simulation

2008 ◽  
Vol 57 (8) ◽  
pp. 774-779 ◽  
Author(s):  
Toshihiko MASAIE ◽  
Yusuke DOI ◽  
Akihiro NAKATANI
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Diffusion Process ◽  
Hydrogen Diffusion ◽  
Elementary Process ◽  
Dynamics Simulation ◽  
Nickel Crystal

A 3D Dynamic Molecular Dynamics Simulation Study: Diffusion of Two Types of Sphere Janus Colloidal Particles

2021 ◽  
Vol 894 ◽  
pp. 73-82
Author(s):  
Qian Li Ma
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Diffusion Process ◽  
Simulation Study ◽  
Colloidal Particles ◽  
3D Visualization ◽  
Particle Simulation ◽  
Dynamics Simulation ◽  
Janus Particles ◽  
Janus Particle

The research of Janus colloidal particles has attracted much attention in recent years because of its huge prospects and applications in materials, chemicals, medicine, catalysis, etc. In order to reduce the cost of conducting experiments, the method of molecular dynamics simulation is used to conduct research on Janus particles. However, the current related simulation study lacks the visualization, dynamization and three-dimensionalization of the Janus particle simulation process. Therefore, the author simulates the free diffusion process of two kinds of Janus particles by using 3D visualization dynamic molecular dynamics related software in this paper. By analyzing the influence of the related parameters of particles and droplet on the diffusion process, new directions of the researches about the simulation of Janus particles can be proposed. The simulation results show that the size of the droplet, the position where the droplet is added to the solution, and the mass of the particles will affect the diffusion process rate of the particles in the droplet in the surrounding solution.

Molecular dynamics simulation of atomic hydrogen diffusion in strained amorphous silica

2020 ◽  
Vol 29 (2) ◽  
pp. 027101
Author(s):  
Fu-Jie Zhang ◽  
Bao-Hua Zhou ◽  
Xiao Liu ◽  
Yu Song ◽  
Xu Zuo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Amorphous Silica ◽  
Atomic Hydrogen ◽  
Hydrogen Diffusion ◽  
Dynamics Simulation
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